CID 218194
Brn 0925625
Structural Information
- Molecular Formula
- C14H14N2O4
- SMILES
- CC1=C(C=C(C=C1)C2=NC(=C(N2)C(=O)C(=O)OC)O)C
- InChI
- InChI=1S/C14H14N2O4/c1-7-4-5-9(6-8(7)2)12-15-10(13(18)16-12)11(17)14(19)20-3/h4-6,18H,1-3H3,(H,15,16)
- InChIKey
- RVHWUKVPWJTBKL-UHFFFAOYSA-N
- Compound name
- methyl 2-[2-(3,4-dimethylphenyl)-4-hydroxy-1H-imidazol-5-yl]-2-oxoacetate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 275.10265 | 160.6 |
[M+Na]+ | 297.08459 | 169.5 |
[M-H]- | 273.08809 | 163.3 |
[M+NH4]+ | 292.12919 | 174.8 |
[M+K]+ | 313.05853 | 166.1 |
[M+H-H2O]+ | 257.09263 | 153.2 |
[M+HCOO]- | 319.09357 | 179.3 |
[M+CH3COO]- | 333.10922 | 194.9 |
[M+Na-2H]- | 295.07004 | 160.2 |
[M]+ | 274.09482 | 162.4 |
[M]- | 274.09592 | 162.4 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.